Quantum dynamical characterization of unimolecular resonances


Autoria(s): Zhang, H.; Smith, S. C.
Data(s)

28/02/2003

Resumo

We give a selective review of quantum mechanical methods for calculating and characterizing resonances in small molecular systems, with an emphasis on recent progress in Chebyshev and Lanczos iterative methods. Two archetypal molecular systems are discussed: isolated resonances in HCO, which exhibit regular mode and state specificity, and overlapping resonances in strongly bound HO2, which exhibit irregular and chaotic behavior. Future directions in this field are also discussed.

Identificador

http://espace.library.uq.edu.au/view/UQ:65249

Idioma(s)

eng

Publicador

The Royal Society of Chemistry

Palavras-Chave #Chem, Physical #Product State Distributions #Subspace Filter Diagonalization #Dependent Schrodinger-equation #Lanczos Subspace #Scattering Calculations #Reactive Scattering #Dissociation Ho2->h+o-2 #Mechanical Calculation #Reaction Probabilities #Boundary-conditions
Tipo

Journal Article